3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile

C11H7BrN4 — CID 6404650

IUPAC3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cnnc1N
InChIInChI=1S/C11H7BrN4/c12-8-3-1-7(2-4-8)10-6-15-16-11(14)9(10)5-13/h1-4,6H,(H2,14,16)
InChIKeyBDBXBPBTMYPAIP-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.36
Rot. Bonds1

About 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile

3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile (PubChem CID 6404650) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile
PubChem CID6404650
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cnnc1N
InChIInChI=1S/C11H7BrN4/c12-8-3-1-7(2-4-8)10-6-15-16-11(14)9(10)5-13/h1-4,6H,(H2,14,16)
InChIKeyBDBXBPBTMYPAIP-UHFFFAOYSA-N
XLogP2.36
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile (CID 6404650) is 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cnnc1N.
What is the InChIKey of 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile?
The InChIKey is BDBXBPBTMYPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-8-3-1-7(2-4-8)10-6-15-16-11(14)9(10)5-13/h1-4,6H,(H2,14,16).
What are the key properties of 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile?
3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile has a molecular weight of 275.11 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 6404650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).